ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(1,4,5-triphenyl-2-imidazolyl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(1,4,5-triphenylimidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-2-37-30(36)25-17-12-20-33(21-25)27(35)22-38-31-32-28(23-13-6-3-7-14-23)29(24-15-8-4-9-16-24)34(31)26-18-10-5-11-19-26/h3-11,13-16,18-19,25H,2,12,17,20-22H2,1H3